Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7038319

Structure

InChI Key SPUUWWRWIAEPDB-UHFFFAOYSA-N
Smiles Oc5ccc3ccc2c1ccccc1cc4c2c3c5cc4
InChI
InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H12O1
Molecular Weight 268.09
AlogP 5.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 13345-21-6
NORMAN SUSDAT
PubChem 25890
ChemSpider 24121.0